CID 44259765

3,5,7-trihydroxy-6-methoxy-4'-prenyloxyflavone

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(=CCOC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O)C
InChI
InChI=1S/C21H20O7/c1-11(2)8-9-27-13-6-4-12(5-7-13)20-19(25)17(23)16-15(28-20)10-14(22)21(26-3)18(16)24/h4-8,10,22,24-25H,9H2,1-3H3
InChIKey
LCSKDKPVRLILBJ-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-6-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1209 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 188.5
[M+Na]+ 407.11012 197.5
[M-H]- 383.11362 194.0
[M+NH4]+ 402.15472 198.3
[M+K]+ 423.08406 194.9
[M+H-H2O]+ 367.11816 180.2
[M+HCOO]- 429.11910 205.0
[M+CH3COO]- 443.13475 216.8
[M+Na-2H]- 405.09557 189.6
[M]+ 384.12035 194.6
[M]- 384.12145 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.